From 7e4c64a81bdfb3757e8d15ffb1fc2978cd7212c4 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 26 Aug 2020 10:41:53 +0200 Subject: [PATCH] Minor changes --- src/JASTROW/jastrow_param.irp.f | 2 +- src/PROPERTIES/properties_energy.irp.f | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/src/JASTROW/jastrow_param.irp.f b/src/JASTROW/jastrow_param.irp.f index 876041d..3d1042b 100644 --- a/src/JASTROW/jastrow_param.irp.f +++ b/src/JASTROW/jastrow_param.irp.f @@ -84,7 +84,7 @@ BEGIN_PROVIDER [ real, jast_pen, (nucl_num) ] ! penetration parameters of the Jastrow END_DOC include '../types.F' - jast_pen(:) = 0. + jast_pen(:) = 0.5 call get_jastrow_jast_pen(jast_pen) END_PROVIDER diff --git a/src/PROPERTIES/properties_energy.irp.f b/src/PROPERTIES/properties_energy.irp.f index 56dc6ab..0f01449 100644 --- a/src/PROPERTIES/properties_energy.irp.f +++ b/src/PROPERTIES/properties_energy.irp.f @@ -257,6 +257,7 @@ BEGIN_PROVIDER [ double precision, E_loc ] ! delta_e = E_loc-E_ref ! E_loc = E_ref + erf(delta_e*time_step_sq)/time_step_sq E_loc = max(2.d0*E_ref, E_loc) +! continue endif E_loc_min = min(E_loc,E_loc_min) E_loc_max = max(E_loc,E_loc_max)